1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine

C16H24N6O — CID 56779742

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCn1cc(CNC2CCCN(Cc3noc(C4CC4)n3)C2)cn1
InChIInChI=1S/C16H24N6O/c1-21-9-12(8-18-21)7-17-14-3-2-6-22(10-14)11-15-19-16(23-20-15)13-4-5-13/h8-9,13-14,17H,2-7,10-11H2,1H3
InChIKeyNFXJYROSEKUYHB-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.43
Rot. Bonds6

About 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine (PubChem CID 56779742) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
PubChem CID56779742
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
SMILESCn1cc(CNC2CCCN(Cc3noc(C4CC4)n3)C2)cn1
InChIInChI=1S/C16H24N6O/c1-21-9-12(8-18-21)7-17-14-3-2-6-22(10-14)11-15-19-16(23-20-15)13-4-5-13/h8-9,13-14,17H,2-7,10-11H2,1H3
InChIKeyNFXJYROSEKUYHB-UHFFFAOYSA-N
XLogP1.43
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine (CID 56779742) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine is Cn1cc(CNC2CCCN(Cc3noc(C4CC4)n3)C2)cn1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is NFXJYROSEKUYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-21-9-12(8-18-21)7-17-14-3-2-6-22(10-14)11-15-19-16(23-20-15)13-4-5-13/h8-9,13-14,17H,2-7,10-11H2,1H3.
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 316.41 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 56779742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).